Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL166996 | 1.00 | PDCD1 (0.40) | PDCD1CD274LTA4HSLC6A2SLC6A3 | |
| SCHEMBL167048 | 1.00 | PDCD1 (0.40) | PDCD1CD274LTA4HSLC6A2SLC6A3 | |
| SCHEMBL30990368 | 0.90 | PDCD1 (0.45) | PDCD1CD274SLC6A2SLC6A3HRH3 | |
| SCHEMBL30990366 | 0.88 | PDCD1 (0.44) | PDCD1CD274HRH3 | |
| SCHEMBL30923358 | 0.84 | PDCD1 (0.40) | PDCD1CD274LTA4HHRH3CA12 | |
| SCHEMBL13993950 | 0.84 | NPSR1 (0.41) | PDCD1CD274HTTHRH3RORC | |
| SCHEMBL30923341 | 0.84 | PDCD1 (0.40) | PDCD1CD274LTA4HHRH3CA12 | |
| SCHEMBL30923356 | 0.84 | PDCD1 (0.40) | PDCD1CD274LTA4HHRH3CA12 | |
| SCHEMBL22729342 | 0.82 | POLR1A (0.39) | SLC6A2SLC6A3HTTHRH3CA12 | |
| SCHEMBL18226089 | 0.82 | POLR1A (0.39) | SLC6A2SLC6A3HTTHRH3CA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200354398-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2020-11-12 | — | — | US | claimed |
| EP-3453714-A2 | CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF | Suzhou Neupharma Co., Ltd (CN) | 2019-03-13 | — | — | EP | claimed |
| US-20170088580-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-03-30 | — | — | US | claimed |
| CN-103619865-A | Certain chemical entities, compositions, and methods | SUZHOU NEUPHARMA CO LTD | 2014-03-05 | — | — | CN | claimed |
| CN-102656179-A | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA CO LTD | 2012-09-05 | — | — | CN | claimed |
| US-20120196842-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2012-08-02 | — | — | US | claimed |
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | claimed |
| EP-3453714-A2 | CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF | Suzhou Neupharma Co., Ltd (CN) | 2019-03-13 | — | — | EP | disclosed |
| US-9018197-B2 | Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use | SUZHOU NEUPHARMA CO. LTD. (CN) | 2015-04-28 | — | — | US | disclosed |
| CN-102656179-A | Bufalin derivatives, pharmaceutical compositions and uses thereof | SUZHOU NEUPHARMA CO LTD | 2012-09-05 | — | — | CN | disclosed |
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200354398-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | PDCD1 2875/4885CD274 2782/4885LTA4H 288/4885 |
| US-20170088580-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | PDCD1 2875/4885CD274 2782/4885LTA4H 288/4885 |
| US-20120196842-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | PDCD1 2875/4885CD274 2782/4885LTA4H 288/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.